1,1-bis(ethenoxy)but-1-ene

C8H12O2 — CID 23196167

IUPAC1,1-bis(ethenoxy)but-1-ene
SMILESC=COC(=CCC)OC=C
InChIInChI=1S/C8H12O2/c1-4-7-8(9-5-2)10-6-3/h5-7H,2-4H2,1H3
InChIKeyDGHWPJFZHVLLEO-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.56
Rot. Bonds5

About 1,1-bis(ethenoxy)but-1-ene

1,1-bis(ethenoxy)but-1-ene (PubChem CID 23196167) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1,1-bis(ethenoxy)but-1-ene.

Molecular Properties

Compound Name1,1-bis(ethenoxy)but-1-ene
PubChem CID23196167
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1,1-bis(ethenoxy)but-1-ene
SMILESC=COC(=CCC)OC=C
InChIInChI=1S/C8H12O2/c1-4-7-8(9-5-2)10-6-3/h5-7H,2-4H2,1H3
InChIKeyDGHWPJFZHVLLEO-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethenoxy)but-1-ene?
The IUPAC name of 1,1-bis(ethenoxy)but-1-ene (CID 23196167) is 1,1-bis(ethenoxy)but-1-ene.
What is the SMILES notation for 1,1-bis(ethenoxy)but-1-ene?
The canonical SMILES for 1,1-bis(ethenoxy)but-1-ene is C=COC(=CCC)OC=C.
What is the InChIKey of 1,1-bis(ethenoxy)but-1-ene?
The InChIKey is DGHWPJFZHVLLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-7-8(9-5-2)10-6-3/h5-7H,2-4H2,1H3.
What are the key properties of 1,1-bis(ethenoxy)but-1-ene?
1,1-bis(ethenoxy)but-1-ene has a molecular weight of 140.18 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethenoxy)but-1-ene is sourced from PubChem (CID 23196167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).